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N-(2-Amino-4,6-Dichloro-5-Pyrimidinyl)Formamide
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Name

N-(2-Amino-4,6-Dichloro-5-Pyrimidinyl)Formamide

 EINECS 425-650-6
CAS No. 171887-03-9 Density 1.742 g/cm3
PSA 80.90000 LogP 2.22400
Solubility N/A Melting Point 4.5 °C
Formula C5H4Cl2N4O Boiling Point 554.77 °C at 760 mmHg
Molecular Weight 207.019 Flash Point 289.315 °C
Transport Information N/A Appearance N/A
Safety Risk Codes R36/38; R36/37/38
Molecular Structure Molecular Structure of 171887-03-9 (N-(2-Amino-4,6-dichloro-5-pyrimidinyl)formamide) Hazard Symbols Xi
Synonyms

N-(2-Amino-4,6-dichloropyrimidin-5-yl)formamide;N-(2-Amino-4,6-dichloro-5-pyrimidinyl)formamide;

Article Data 9

N-(2-Amino-4,6-Dichloro-5-Pyrimidinyl)Formamide Synthetic route

2-nitroso-4,6-dichloro-5-formamidopyrimidine

171887-03-9

N-(2-amino-4,6-dichloropyrimidin-5-yl)formamide

Conditions
ConditionsYield
With 5%-palladium/activated carbon; hydrogen In methanol at 40℃; under 7500.75 - 11251.1 Torr; for 4h; Temperature; Autoclave;98%
64-18-6

formic acid

55583-59-0

2,5-diamino-4,6-dichloropyrimidine

171887-03-9

N-(2-amino-4,6-dichloropyrimidin-5-yl)formamide

Conditions
ConditionsYield
Stage #1: formic acid; 2,5-diamino-4,6-dichloropyrimidine at 50 - 55℃; for 3h;
Stage #2: In toluene at 50℃; under reduced pressure;		90%

2,5-diamino-4,6-dihydroxypyrimidine hydrochloride

68-12-2, 33513-42-7

N,N-dimethyl-formamide

171887-03-9

N-(2-amino-4,6-dichloropyrimidin-5-yl)formamide

Conditions
ConditionsYield
With thionyl chloride; trichlorophosphate at 80℃; for 2.5h; Temperature;82.6%
171887-02-8

2-amino-5-{[(dimethylamino)methylene]amino}-4,6-dichloropyrimidine

171887-03-9

N-(2-amino-4,6-dichloropyrimidin-5-yl)formamide

Conditions
ConditionsYield
In phosphate buffer for 4h; pH=3.2; Hydrolysis; Heating;72%

2-Amino-4,6-dichloro-5-[(dimethylamino)methyleneamino]pyrimidine

171887-03-9

N-(2-amino-4,6-dichloropyrimidin-5-yl)formamide

Conditions
ConditionsYield
With potassium dihydrogenphosphate; phosphoric acid In chloroform methanol68%
56830-58-1

2,5-Diamino-4,6-dihydroxypyrimidine hydrochloride

68-12-2, 33513-42-7

N,N-dimethyl-formamide

171887-03-9

N-(2-amino-4,6-dichloropyrimidin-5-yl)formamide

Conditions
ConditionsYield
Stage #1: N,N-dimethyl-formamide With trichlorophosphate at 50℃; for 0.75h;
Stage #2: 2,5-Diamino-4,6-dihydroxypyrimidine hydrochloride at 70 - 90℃; for 17.45 - 20.45h;
Stage #3: With sodium hydroxide; water at 20 - 97℃; for 4 - 8h; pH=0.5 - 4.0; Product distribution / selectivity;		37.4%

4,6-Dichloro-2,5-bis-[(dimethylamino)methyleneamino]pyrimidine

56830-58-1

2,5-Diamino-4,6-dihydroxypyrimidine hydrochloride

171887-03-9

N-(2-amino-4,6-dichloropyrimidin-5-yl)formamide

Conditions
ConditionsYield
With sodium hydroxide; phosphoric acid; trichlorophosphate In N-methyl-acetamide; water; toluene
56830-58-1

2,5-Diamino-4,6-dihydroxypyrimidine hydrochloride

171887-03-9

N-(2-amino-4,6-dichloropyrimidin-5-yl)formamide

Conditions
ConditionsYield
With sodium hydroxide; trichlorophosphate In N-methyl-acetamide; water
With sodium hydroxide; trichlorophosphate In N-methyl-acetamide; water
171887-01-7

2,5-bis{[(dimethylamino)methylene]amino}-4,6-dichloropyrimidine

171887-03-9

N-(2-amino-4,6-dichloropyrimidin-5-yl)formamide

Conditions
ConditionsYield
With sodium hydroxide; phosphoric acid; water at 100℃; for 4h; pH=4; Product distribution / selectivity;
55583-59-0

2,5-diamino-4,6-dichloropyrimidine

171887-03-9

N-(2-amino-4,6-dichloropyrimidin-5-yl)formamide

Conditions
ConditionsYield
With formic acid In water; toluene

N-(2-Amino-4,6-Dichloro-5-Pyrimidinyl)Formamide Specification

The N-(2-Amino-4,6-Dichloro-5-Pyrimidinyl)Formamide, with the CAS registry number 171887-03-9, is also known as N-(2-Amino-4,6-dichloropyrimidin-5-yl)formamide; 2-Amino-4,6-dichloro-5-formamidopyrimidine. It belongs to the product categories of Bases & Related Reagents;Heterocycles;Nucleotides.This chemical's molecular formula is C5H4Cl2N4O and molecular weight is 207.02. What's more,Its systematic name is N-(2-Amino-4,6-Dichloro-5-Pyrimidinyl)Formamide.It is an Abacavir intermediate,A purine derivative.

Physical properties about N-(2-Amino-4,6-Dichloro-5-Pyrimidinyl)Formamide are:
(1)ACD/LogP: 1.202; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.20; (4)ACD/LogD (pH 7.4): 1.20; (5)ACD/BCF (pH 5.5): 4.83; (6)ACD/BCF (pH 7.4): 4.83; (7)ACD/KOC (pH 5.5): 107.40; (8)ACD/KOC (pH 7.4): 107.39; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.706; (13)Molar Refractivity: 46.258 cm3; (14)Molar Volume: 118.837 cm3; (15)Surface Tension: 85.0719985961914 dyne/cm; (16)Density: 1.742 g/cm3; (17)Flash Point: 289.315 °C; (18)Enthalpy of Vaporization: 83.592 kJ/mol; (19)Boiling Point: 554.77 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:Clc1nc(nc(Cl)c1NC=O)N;
(2)Std. InChI:InChI=1S/C5H4Cl2N4O/c6-3-2(9-1-12)4(7)11-5(8)10-3/h1H,(H,9,12)(H2,8,10,11);
(3)Std. InChIKey:XYWHZUCZNRMJGO-UHFFFAOYSA-N.

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